Structure Information
Structure

Compound Identification

SMILES

OC1(CCN(CCCC2(C#N)C3=CC=CC=C3COC3=C2C=C(Br)C=C3)CC1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=CCYIUGUAZCXBBT-UHFFFAOYSA-N

Formula

C29H28BrClN2O2

Mass

551.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Dibenzoxepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzoxepines

Alternative Parents

Phenylpiperidines Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Aryl bromides Tertiary alcohols Trialkylamines Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzoxepine - Phenylpiperidine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Nitrile - Carbonitrile - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Cyanide - Organic oxygen compound - Amine - Alcohol - Organobromide - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

External Descriptors

Not available

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